[1-(1-nonadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate

Systemtic Name: [1-(1-nonadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Openeye Name: [1-(1-nonadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [1-(1-nonadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-nonadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [1-(1-nonadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C50H78O4 MolecularWeight: 743.15192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCC

InChI

InChI=1S/C50H78O4/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-22-24-25-30-42-52-44(3)50(40-38-46(39-41-50)45-32-28-27-29-33-45)54-49(51)47-34-36-48(37-35-47)53-43-31-26-23-13-11-9-7-5-2/h27-29,32-41,44,46H,4-26,30-31,42-43H2,1-3H3